AG00ACVR

186393-31-7 | trans-3,4-Dihydroxypyrrolidine

AG00ACVR

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CAS Number	186393-31-7
Catalog Number	AG00ACVR(AGN-PC-0WALTK)
Chemical Name	trans-3,4-Dihydroxypyrrolidine
IUPAC Name	(3R,4R)-pyrrolidine-3,4-diol
InChI	InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4-/m1/s1
InChI Key	JCZPOYAMKJFOLA-QWWZWVQMSA-N
MDL Number	MFCD09910270
Molecular Formula	C4H9NO2
Molecular Weight	103.1198
SMILES	O[C@@H]1CNC[C@H]1O
Synonyms	(3R,4R)-pyrrolidine-3,4-diol, 186393-31-7, trans-3,4-Dihydroxypyrrolidine, 1104000-68-1, (3R,4R)-3,4-PYRROLIDINEDIOL, 51988-72-8, 136779-52-7, trans-pyrrolidine-3,4-diol, SCHEMBL48728, (3r,4r)-dihydroxypyrrolidine, CHEMBL396701, CTK4D9227, DTXSID80467576, JCZPOYAMKJFOLA-QWWZWVQMSA-N, (3R,4R)-3,4-dihydroxypyrrolidine, (3R)-Pyrrolidine-3beta,4alpha-diol, CD-196, MFCD09910270, ZINC13530557, AKOS023412122, PB26398, AS-34790, DB-032024, DB-065561, CS-0053303, FT-0770759, FT-0774265, D67457, Q-2434, I11-0404, 1,4-Ddit, 3,4-Pyrrolidinediol,(3R,4R)-, CID11499204,

Complexity	58.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	103.063g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	103.121g/mol
Monoisotopic Mass	103.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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